SCHEMBL4320722

SCHEMBL4320722

O=C(c1ccc(-c2ccc3c(c2)CCN(C2CCN(C4CCC4)C2)C3=O)cc1)N1CCC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.52
KCNH2 Q12809 6/20 0.52
HTR1A P08908 3/20 0.51
SLC6A4 P31645 3/20 0.51
HRH1 P35367 2/20 0.51
L3MBTL3 Q96JM7 10/20 0.45
L3MBTL1 Q9Y468 8/20 0.45
MBTD1 Q05BQ5 4/20 0.42
TP53BP1 Q12888 1/20 0.42
L3MBTL4 Q8NA19 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4320715 1.00 HRH3 (0.52) HRH3KCNH2HTR1ASLC6A4HRH1
SCHEMBL4320884 0.98 HRH3 (0.55) HRH3KCNH2HTR1ASLC6A4HRH1
SCHEMBL4309015 0.97 HRH3 (0.54) HRH3KCNH2HTR1ASLC6A4HRH1
SCHEMBL4309013 0.97 HRH3 (0.54) HRH3KCNH2HTR1ASLC6A4HRH1
SCHEMBL4315514 0.96 HRH3 (0.55) HRH3KCNH2HTR1ASLC6A4HRH1
SCHEMBL4305664 0.95 HRH3 (0.54) HRH3KCNH2HTR1ASLC6A4HRH1
SCHEMBL4307524 0.94 HRH3 (0.55) HRH3KCNH2HTR1ASLC6A4HRH1
SCHEMBL4326787 0.93 HRH3 (0.49) HRH3KCNH2HTR1ASLC6A4HRH1
SCHEMBL4326790 0.93 HRH3 (0.49) HRH3KCNH2HTR1ASLC6A4HRH1
SCHEMBL4318056 0.92 HRH3 (0.55) HRH3KCNH2HTR1ASLC6A4HRH1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069370-A1 AZACYCLYLISOQUINOLINONE AND ISOINDOLINONE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-03-12 US claimed
US-20090069370-A1 AZACYCLYLISOQUINOLINONE AND ISOINDOLINONE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-03-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090069370-A1 AZACYCLYLISOQUINOLINONE AND ISOINDOLINONE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH1, HRH2 HRH3 4/4885KCNH2 456/4885HTR1A 54/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.